Geometry & MOs

Info

ID:	417037
PubChem CID:	135091146
Reduced:	N2O2C11H16 (3)
Stoich.:	A2B2C11D16 (3)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	-271.45
Dipole, Da:	8.46
IP(EA), eV:	-9.44(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)CCN3CCCCCC3=O)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations